[3-[2-[4-[1-[2-(furan-2-ylmethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-[2-methoxy-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: [3-[2-[4-[1-[2-(furan-2-ylmethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-[2-methoxy-5-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: [3-[2-[4-[1-[2-(2-furylmethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone CAS Name: [3-[2-[4-[1-[2-(2-furanylmethoxy)ethyl]-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-1-pyrrolidinyl]-[2-methoxy-5-(1-tetrazolyl)phenyl]methanone IUPAC Name: [3-[2-[4-[1-[2-(furan-2-ylmethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone Traditional Name: [3-[2-[4-[1-[2-(2-furfuryloxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidino]-[2-methoxy-5-(tetrazol-1-yl)phenyl]methanone Formula: C40H45N9O4 MolecularWeight: 715.8432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NN=N2)C(=O)N3CCC(C3)(CCN4CCCN(CC4)C5=NC6=CC=CC=C6N5CCOCC7=CC=CO7)C8=CC=CC=C8

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NN=N2)C(=O)N3CCC(C3)(CCN4CCCN(CC4)C5=NC6=CC=CC=C6N5CCOCC7=CC=CO7)C8=CC=CC=C8

InChI

InChI=1S/C40H45N9O4/c1-51-37-15-14-32(49-30-41-43-44-49)27-34(37)38(50)47-21-17-40(29-47,31-9-3-2-4-10-31)16-20-45-18-8-19-46(23-22-45)39-42-35-12-5-6-13-36(35)48(39)24-26-52-28-33-11-7-25-53-33/h2-7,9-15,25,27,30H,8,16-24,26,28-29H2,1H3